[gmx-users] "Fatal error: Failed to lock: md_0_1.log. Already running simulation?"

[Bakary N'tji Diallo]

Hello everyone

I am trying to continue a simulation that hit the walltime:
gmx mdrun -s md_0_1.tpr -cpi md_0_1.cpt -maxh 96 -deffnm md_0_1

But everytime I am getting this error:
"Fatal error: Failed to lock: md_0_1.log. Already running simulation?"

I tried the solution in this post without success:
https://www.mail-archive.com/gmx-users@gromacs.org/msg61000.html

I tried to extend the simulation without success:
#Extend a simulation
cp md_0_1.tpr md_0_1_old.tpr
gmx convert-tpr -s md_0_1.tpr -extend 15000 -o md_0_1.tpr #extend by 15ns
gmx mdrun -cpi -maxh 48 -deffnm md_0_1

It will be great if someone can help me out.

Thanks
Best regards
-- 

Bakary N’tji DIALLO

Pharm. D. / M.Sc. Student in Bioinformatics
<https://www.linkedin.com/in/bakaryntjidiallo>

Mail: diallobakary4 at gmail.com |  Skype: diallobakary4

Tel: +27798233845 | +223 74 56 57 22 | +223 97 39 77 14